2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone

C9H7ClN2O2 — CID 61034881

IUPAC2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccco1
InChIInChI=1S/C9H7ClN2O2/c10-7-4-11-12(5-7)6-8(13)9-2-1-3-14-9/h1-5H,6H2
InChIKeyCZWCMSVBWOILMW-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone

2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone (PubChem CID 61034881) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
PubChem CID61034881
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccco1
InChIInChI=1S/C9H7ClN2O2/c10-7-4-11-12(5-7)6-8(13)9-2-1-3-14-9/h1-5H,6H2
InChIKeyCZWCMSVBWOILMW-UHFFFAOYSA-N
XLogP2.01
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683
2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19527848
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765838
2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 54909826
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295
N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
CID 52731675
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone (CID 61034881) is 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone is O=C(Cn1cc(Cl)cn1)c1ccco1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone?
The InChIKey is CZWCMSVBWOILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-4-11-12(5-7)6-8(13)9-2-1-3-14-9/h1-5H,6H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone?
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone has a molecular weight of 210.62 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 61034881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).